ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate

C19H29NO4 — CID 70835343

IUPACethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate
SMILESCCCCOCC(C)(C)C(=O)N(CC(=O)OCC)c1ccccc1
InChIInChI=1S/C19H29NO4/c1-5-7-13-23-15-19(3,4)18(22)20(14-17(21)24-6-2)16-11-9-8-10-12-16/h8-12H,5-7,13-15H2,1-4H3
InChIKeyIFPXRGWYGNULER-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.43
Rot. Bonds10

About ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate

ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate (PubChem CID 70835343) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate
PubChem CID70835343
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nameethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate
SMILESCCCCOCC(C)(C)C(=O)N(CC(=O)OCC)c1ccccc1
InChIInChI=1S/C19H29NO4/c1-5-7-13-23-15-19(3,4)18(22)20(14-17(21)24-6-2)16-11-9-8-10-12-16/h8-12H,5-7,13-15H2,1-4H3
InChIKeyIFPXRGWYGNULER-UHFFFAOYSA-N
XLogP3.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
ethyl 2-(N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]anilino)acetate
CID 70516358
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
CID 55324833
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55305387
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
ethyl 3-[N-[2-(2-methoxyethoxy)ethyl]anilino]-3-sulfanylidenepropanoate
CID 10496293
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate?
The IUPAC name of ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate (CID 70835343) is ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate?
The canonical SMILES for ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate is CCCCOCC(C)(C)C(=O)N(CC(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate?
The InChIKey is IFPXRGWYGNULER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-7-13-23-15-19(3,4)18(22)20(14-17(21)24-6-2)16-11-9-8-10-12-16/h8-12H,5-7,13-15H2,1-4H3.
What are the key properties of ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate?
ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate has a molecular weight of 335.44 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(3-butoxy-2,2-dimethylpropanoyl)anilino)acetate is sourced from PubChem (CID 70835343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).